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Nitric Acid → Nitrate

HRID 189560
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인쇄 미리보기

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HRID 189560 반응식
[CH3:1][CH2:2][CH:3]1[O:4][C:5](=[O:6])[CH:7]([CH3:8])[CH:9]([O:10][CH:11]2[CH2:12][C:13]([CH3:14])([O:15][CH3:16])[CH:17]([OH:18])[CH:19]([CH3:20])[O:21]2)[CH:22]([CH3:23])[CH:24]([O:25][CH:26]2[O:27][CH:28]([CH3:29])[CH2:30][CH:31]([N:34]([CH3:35])[CH3:36])[CH:32]2[OH:33])[C:37]([CH3:38])([OH:39])[CH2:40][CH:41]([CH3:42])[C:43](=[O:44])[CH:45]([CH3:46])[CH:47]([OH:48])[C:49]1([CH3:50])[OH:51].[CH3:60][C:61]#[N:62].[CH:56]([Cl:57])([Cl:58])[Cl:59].[OH:52][N+:53]([O-:54])=[O:55]>>[CH3:1][CH2:2][CH:3]1[O:4][C:5](=[O:6])[CH:7]([CH3:8])[CH:9]([O:10][CH:11]2[CH2:12][C:13]([CH3:14])([O:15][CH3:16])[CH:17]([OH:18])[CH:19]([CH3:20])[O:21]2)[CH:22]([CH3:23])[CH:24]([O:25][CH:26]2[O:27][CH:28]([CH3:29])[CH2:30][CH:31]([N:34]([CH3:35])[CH3:36])[CH:32]2[OH:33])[C:37]([CH3:38])([OH:39])[CH2:40][CH:41]([CH3:42])[C:43](=[O:44])[CH:45]([CH3:46])[CH:47]([OH:48])[C:49]1([CH3:50])[OH:51].[O:52]=[N+:53]([O-:54])[O-:55]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 944Nitric AcidHCID 32556-((4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy)-14-ethyl-7,12,13-trihydroxy-4-((5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dioneHCID 6212ChloroformHCID 6342Acetonitrile

생성물 2

HCID 943Nitrate
HCID 3255
6-((4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy)-14-ethyl-7,12,13-trihydroxy-4-((5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

출처 및 근거

ORD 기록
ord-4e29e920916a414989e8bd572ba0eafe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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